5-[[(E)-3-phenylprop-2-enoyl]amino]benzene-1,3-dicarboxylate

Formula:C17H11NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[[(E)-3-phenylprop-2-enoyl]amino]benzene-1,3-dicarboxylate is a drug-like molecule.

MolName	5-[[(E)-3-phenylprop-2-enoyl]amino]benzene-1,3-dicarboxylate
MolecularFormula	C17H11NO5
Smiles	[O-]C(c1cc(C([O-])=O)cc(NC(/C=C/c2ccccc2)=O)c1)=O
InChI	InChI=1S/C17H13NO5/c19-15(7-6-11-4-2-1-3-5-11)18-14-9-12(16(20)21)8-13(10-14)17(22)23/h1-10H,(H,18,19)(H,20,21)(H,22,23)/p-2
InChIK	VEIUXPLIWZQBJT-UHFFFAOYSA-L
TotalMolweight	309.276
Molweight	309.276
MonoisotopicMass	309.063724
CLogP	-2.0455
CLogS	-3.524
H Acceptors	6
H Donors	1
TotalSurfaceArea	239.29
Relative PSA	0.33073
PolarSurfaceArea	109.36
Druglikeness	-0.26847
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	7
Amides	1
AcidicOxygens	2
StereoCon

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